(2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol

C18H20N4O — CID 50976284

IUPAC(2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol
SMILESNCCc1nc(N[C@@H](CO)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H20N4O/c19-11-10-17-20-15-9-5-4-8-14(15)18(22-17)21-16(12-23)13-6-2-1-3-7-13/h1-9,16,23H,10-12,19H2,(H,20,21,22)/t16-/m0/s1
InChIKeyXYKPYJYCERDCQT-INIZCTEOSA-N
MW308.38 g/mol
LogP2.28
Rot. Bonds6

About (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol

(2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol (PubChem CID 50976284) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol
PubChem CID50976284
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol
SMILESNCCc1nc(N[C@@H](CO)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H20N4O/c19-11-10-17-20-15-9-5-4-8-14(15)18(22-17)21-16(12-23)13-6-2-1-3-7-13/h1-9,16,23H,10-12,19H2,(H,20,21,22)/t16-/m0/s1
InChIKeyXYKPYJYCERDCQT-INIZCTEOSA-N
XLogP2.28
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol (CID 50976284) is (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol is NCCc1nc(N[C@@H](CO)c2ccccc2)c2ccccc2n1.
What is the InChIKey of (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol?
The InChIKey is XYKPYJYCERDCQT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O/c19-11-10-17-20-15-9-5-4-8-14(15)18(22-17)21-16(12-23)13-6-2-1-3-7-13/h1-9,16,23H,10-12,19H2,(H,20,21,22)/t16-/m0/s1.
What are the key properties of (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol?
(2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol has a molecular weight of 308.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 50976284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).